SCHEMBL8543007

SCHEMBL8543007

c1ccc(Oc2ccc(CCNc3ncnc4ccccc34)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.77
EGFR P00533 5/20 0.77
LMNA P02545 4/20 0.77
MAPK1 P28482 3/20 0.77
APP P05067 2/20 0.77
AURKA O14965 1/20 0.63
KDR P35968 1/20 0.61
TEK Q02763 1/20 0.61
NR2F2 P24468 3/20 0.57
POLB P06746 1/20 0.57
GALR3 O60755 2/20 0.56
RAB9A P51151 1/20 0.56
LDHA P00338 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 1/20 0.55
CCNC P24863 1/20 0.53
CDKN1A P38936 1/20 0.53
CDK8 P49336 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
GAA P10253 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8548572 0.89 EGFR (0.71) HTTEGFRLMNAMAPK1APP
SCHEMBL15684945 0.88 HTT (0.63) HTTEGFRLMNAMAPK1APP
SCHEMBL8497590 0.87 APP (1.00) HTTEGFRLMNAMAPK1APP
SCHEMBL8548720 0.87 HTT (0.69) HTTEGFRLMNAMAPK1APP
SCHEMBL157421 0.86 NFKB1 (0.63) HTTEGFRLMNAMAPK1APP
SCHEMBL29350229 0.86 NFKB1 (0.63) HTTEGFRLMNAMAPK1APP
SCHEMBL8543175 0.85 HTT (0.83) HTTEGFRLMNAMAPK1APP
SCHEMBL8483825 0.84 HTT (0.67) HTTEGFRLMNAMAPK1APP
SCHEMBL8542891 0.83 HTT (0.54) HTTEGFRLMNAMAPK1APP
SCHEMBL9387280 0.83 HTT (0.66) HTTEGFRLMNAMAPK1APP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed